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1-[1-(methylthio)ethylidene]-4-phenylcyclohexane
SpectraBase Compound ID 6KaopJkp588
InChI InChI=1S/C15H20S/c1-12(16-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3/b13-12-
InChIKey JCUAOYNLMFYJTJ-SEYXRHQNSA-N
Mol Weight 232.38 g/mol
Molecular Formula C15H20S
Exact Mass 232.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClXVUQMFunD
Name 1-[1-(methylthio)ethylidene]-4-phenylcyclohexane
Alternate Name(s) methyl 1-(4-phenylcyclohexylidene)ethyl sulfide {4-[1-(Methylsulfanyl)ethylidene]cyclohexyl}benzene
CAS Registry Number 113035-72-6
Comments Less than 3 mono-isotopic peaks
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Formula C15H20S
InChI InChI=1S/C15H20S/c1-12(16-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3/b13-12-
InChIKey JCUAOYNLMFYJTJ-SEYXRHQNSA-N
Molecular Weight 232.385 g/mol
SMILES C1(=C(SC)C)CCC(CC1)c1ccccc1
SPLASH splash10-00lr-0090000000-ae1bc46261fe27e35527
Source of Spectrum K-121-1041-4
Wiley ID 1234304